2-(1,3-benzoxazol-2-ylsulfanyl)-4-chloro-1,3-thiazole-5-carbaldehyde


Chemical Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-4-chloro-1,3-thiazole-5-carbaldehyde
CAS Number: 914348-74-6
Product Number: AG00GUNA(AGN-PC-07A1EX)
Synonyms:
MDL No:
Molecular Formula: C11H5ClN2O2S2
Molecular Weight: 296.7526

Identification/Properties


Computed Properties
Molecular Weight:
296.743g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
295.948g/mol
Monoisotopic Mass:
295.948g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
323
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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